CID 54595950

2-(3-aminopiperidin-1-yl)pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C11H15N3O2
SMILES
C1CC(CN(C1)C2=NC=CC(=C2)C(=O)O)N
InChI
InChI=1S/C11H15N3O2/c12-9-2-1-5-14(7-9)10-6-8(11(15)16)3-4-13-10/h3-4,6,9H,1-2,5,7,12H2,(H,15,16)
InChIKey
IVORZIPMSJUTBR-UHFFFAOYSA-N
Compound name
2-(3-aminopiperidin-1-yl)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 150.1
[M+Na]+ 244.10564 155.4
[M-H]- 220.10914 151.8
[M+NH4]+ 239.15024 164.1
[M+K]+ 260.07958 152.2
[M+H-H2O]+ 204.11368 141.6
[M+HCOO]- 266.11462 167.0
[M+CH3COO]- 280.13027 187.7
[M+Na-2H]- 242.09109 153.1
[M]+ 221.11587 143.6
[M]- 221.11697 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.